2-(Tert-butyl)-4-methylaniline
TL;DR: 2-(Tert-butyl)-4-methylaniline (CAS 2909-81-1) is a chemical compound with molecular formula C11H17N and molecular weight 163.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-methylaniline
Also Known As: 2-(tert-butyl)-4-methylaniline, 2-tert-butyl-4-methylaniline, Aniline, 2-tert-butyl-4-methyl-, 2-(1,1-DIMETHYLETHYL)-4-METHYLBENZENAMINE
| Molecular Formula | C11H17N |
|---|---|
| Molecular Weight | 163.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.1361 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 2909-81-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N)C(C)(C)C |
| InChIKey | MNPOGGDABVIFEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Tert-butyl)-4-methylaniline (CAS 2909-81-1), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: 2-tert-butyl-4-methylaniline.
Chemical Property Profile of 2-(Tert-butyl)-4-methylaniline
Property Insights of 2-(Tert-butyl)-4-methylaniline
The XLogP value of 3.0 indicates that 2-(Tert-butyl)-4-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 2-(Tert-butyl)-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Tert-butyl)-4-methylaniline has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Tert-butyl)-4-methylaniline?
The CAS number of 2-(Tert-butyl)-4-methylaniline is 2909-81-1.
What is the molecular formula of 2-(Tert-butyl)-4-methylaniline?
The molecular formula of 2-(Tert-butyl)-4-methylaniline is C11H17N.
What is the molecular weight of 2-(Tert-butyl)-4-methylaniline?
The molecular weight of 2-(Tert-butyl)-4-methylaniline is 163.14 g/mol.
Where can I buy 2-(Tert-butyl)-4-methylaniline?
You can request a quote for 2-(Tert-butyl)-4-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Tert-butyl)-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butyl)-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.